N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-4-propan-2-yloxy-benzamide

Systemtic Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-4-isopropoxy-benzamide CAS Name: N-[[[2-(4-ethoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: 4-isopropoxy-N-[(2-p-phenetylbenzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=C(C=C4)OC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=C(C=C4)OC(C)C

InChI

InChI=1S/C25H25N5O3S/c1-4-32-20-12-8-19(9-13-20)30-28-22-14-7-18(15-23(22)29-30)26-25(34)27-24(31)17-5-10-21(11-6-17)33-16(2)3/h5-16H,4H2,1-3H3,(H2,26,27,31,34)