N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C30H25N3O2S2 MolecularWeight: 523.6684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)OCCC5=CC=CC=C5

InChI

InChI=1S/C30H25N3O2S2/c1-20-7-16-26-27(19-20)37-29(32-26)23-8-12-24(13-9-23)31-30(36)33-28(34)22-10-14-25(15-11-22)35-18-17-21-5-3-2-4-6-21/h2-16,19H,17-18H2,1H3,(H2,31,33,34,36)