N-[[2-(4-dimethylaminophenyl)benzotriazol-5-yl]carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[[2-(4-dimethylaminophenyl)benzotriazol-5-yl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[2-(4-dimethylaminophenyl)benzotriazol-5-yl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[[2-(4-dimethylaminophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[2-(4-dimethylaminophenyl)benzotriazol-5-yl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[2-(4-dimethylaminophenyl)benzotriazol-5-yl]thiocarbamoyl]-3-propoxy-benzamide Formula: C25H26N6O2S MolecularWeight: 474.57794

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C25H26N6O2S/c1-4-14-33-21-7-5-6-17(15-21)24(32)27-25(34)26-18-8-13-22-23(16-18)29-31(28-22)20-11-9-19(10-12-20)30(2)3/h5-13,15-16H,4,14H2,1-3H3,(H2,26,27,32,34)