methyl 4-[[(R)-(4-propylphenyl)-thiophen-2-yl-methyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(R)-(4-propylphenyl)-thiophen-2-yl-methyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(R)-(4-propylphenyl)-(2-thienyl)methyl]carbamothioylamino]butanoate CAS Name: 4-[[[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]carbamothioylamino]butanoate Traditional Name: 4-[[(R)-(4-propylphenyl)-(2-thienyl)methyl]thiocarbamoylamino]butyric acid methyl ester Formula: C20H26N2O2S2 MolecularWeight: 390.56264

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=S)NCCCC(=O)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@H](C2=CC=CS2)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C20H26N2O2S2/c1-3-6-15-9-11-16(12-10-15)19(17-7-5-14-26-17)22-20(25)21-13-4-8-18(23)24-2/h5,7,9-12,14,19H,3-4,6,8,13H2,1-2H3,(H2,21,22,25)/t19-/m1/s1