N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]-3-propoxy-benzamide Openeye Name: N-[(4-isopropoxyphenyl)methylcarbamothioyl]-3-propoxy-benzamide CAS Name: N-[[(4-propan-2-yloxyphenyl)methylamino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]-3-propoxybenzamide Traditional Name: N-[(4-isopropoxybenzyl)thiocarbamoyl]-3-propoxy-benzamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)OC(C)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)OC(C)C

InChI

InChI=1S/C21H26N2O3S/c1-4-12-25-19-7-5-6-17(13-19)20(24)23-21(27)22-14-16-8-10-18(11-9-16)26-15(2)3/h5-11,13,15H,4,12,14H2,1-3H3,(H2,22,23,24,27)