N-[[2-(3,4-dimethoxyphenyl)-2-prop-2-enyl-pent-4-enyl]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: N-[[2-(3,4-dimethoxyphenyl)-2-prop-2-enyl-pent-4-enyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[[2-allyl-2-(3,4-dimethoxyphenyl)pent-4-enyl]carbamothioyl]-4-methoxy-benzamide CAS Name: N-[[[2-(3,4-dimethoxyphenyl)-2-prop-2-enylpent-4-enyl]amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[[2-(3,4-dimethoxyphenyl)-2-prop-2-enylpent-4-enyl]carbamothioyl]-4-methoxybenzamide Traditional Name: N-[[2-allyl-2-(3,4-dimethoxyphenyl)pent-4-enyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=S)NCC(CC=C)(CC=C)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=S)NCC(CC=C)(CC=C)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C25H30N2O4S/c1-6-14-25(15-7-2,19-10-13-21(30-4)22(16-19)31-5)17-26-24(32)27-23(28)18-8-11-20(29-3)12-9-18/h6-13,16H,1-2,14-15,17H2,3-5H3,(H2,26,27,28,32)