N-[5-[5-(4-ethanoylpiperazin-1-yl)carbonyl-4-methoxy-2-methyl-phenyl]sulfanyl-1,3-thiazol-2-yl]-4-[(propan-2-ylamino)methyl]benzamide

Systemtic Name: N-[5-[5-(4-ethanoylpiperazin-1-yl)carbonyl-4-methoxy-2-methyl-phenyl]sulfanyl-1,3-thiazol-2-yl]-4-[(propan-2-ylamino)methyl]benzamide Openeye Name: N-[5-[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methyl-phenyl]sulfanylthiazol-2-yl]-4-[(isopropylamino)methyl]benzamide CAS Name: N-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[(propan-2-ylamino)methyl]benzamide IUPAC Name: N-[5-[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-4-[(propan-2-ylamino)methyl]benzamide Traditional Name: N-[5-[[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methyl-phenyl]thio]thiazol-2-yl]-4-[(isopropylamino)methyl]benzamide Formula: C29H35N5O4S2 MolecularWeight: 581.7493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OC)C(=O)N2CCN(CC2)C(=O)C)SC3=CN=C(S3)NC(=O)C4=CC=C(C=C4)CNC(C)C

Isomeric SMILES

CC1=C(C=C(C(=C1)OC)C(=O)N2CCN(CC2)C(=O)C)SC3=CN=C(S3)NC(=O)C4=CC=C(C=C4)CNC(C)C

InChI

InChI=1S/C29H35N5O4S2/c1-18(2)30-16-21-6-8-22(9-7-21)27(36)32-29-31-17-26(40-29)39-25-15-23(24(38-5)14-19(25)3)28(37)34-12-10-33(11-13-34)20(4)35/h6-9,14-15,17-18,30H,10-13,16H2,1-5H3,(H,31,32,36)