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

Systemtic Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-3-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(=CC=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(=CC=C4)OCCC5=CC=CC=C5

InChI

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