N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]-4-isopropyl-benzamide Formula: C25H23N3OS2 MolecularWeight: 445.59962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H23N3OS2/c1-16(2)18-11-13-19(14-12-18)23(29)28-25(30)26-15-17-7-9-20(10-8-17)24-27-21-5-3-4-6-22(21)31-24/h3-14,16H,15H2,1-2H3,(H2,26,28,29,30)