N-[4-methoxy-7-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]-1,3-benzothiazol-2-yl]-2-methyl-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-methoxy-7-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]-1,3-benzothiazol-2-yl]-2-methyl-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-methoxy-7-[2-(tritylamino)thiazol-4-yl]-1,3-benzothiazol-2-yl]-2-methyl-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-methoxy-7-[2-[(triphenylmethyl)amino]-4-thiazolyl]-1,3-benzothiazol-2-yl]-2-methyl-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-methoxy-7-[2-(tritylamino)-1,3-thiazol-4-yl]-1,3-benzothiazol-2-yl]-2-methyl-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-methoxy-7-[2-(tritylamino)thiazol-4-yl]-1,3-benzothiazol-2-yl]-2-methyl-4-pyrrolidino-benzamide Formula: C42H37N5O2S2 MolecularWeight: 707.90548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)C(=O)NC3=NC4=C(C=CC(=C4S3)C5=CSC(=N5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)OC

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)C(=O)NC3=NC4=C(C=CC(=C4S3)C5=CSC(=N5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)OC

InChI

InChI=1S/C42H37N5O2S2/c1-28-26-32(47-24-12-13-25-47)20-21-33(28)39(48)45-40-44-37-36(49-2)23-22-34(38(37)51-40)35-27-50-41(43-35)46-42(29-14-6-3-7-15-29,30-16-8-4-9-17-30)31-18-10-5-11-19-31/h3-11,14-23,26-27H,12-13,24-25H2,1-2H3,(H,43,46)(H,44,45,48)