1-[[3-azanyl-5-(4-methoxyphenyl)thiophen-2-yl]carbonylamino]-3-(2-phenylsulfanylethyl)thiourea

Systemtic Name: 1-[[3-azanyl-5-(4-methoxyphenyl)thiophen-2-yl]carbonylamino]-3-(2-phenylsulfanylethyl)thiourea Openeye Name: 1-[[3-amino-5-(4-methoxyphenyl)thiophene-2-carbonyl]amino]-3-(2-phenylsulfanylethyl)thiourea CAS Name: 1-[[[3-amino-5-(4-methoxyphenyl)-2-thiophenyl]-oxomethyl]amino]-3-[2-(phenylthio)ethyl]thiourea IUPAC Name: 1-[[3-amino-5-(4-methoxyphenyl)thiophene-2-carbonyl]amino]-3-(2-phenylsulfanylethyl)thiourea Traditional Name: 1-[[3-amino-5-(4-methoxyphenyl)thiophene-2-carbonyl]amino]-3-[2-(phenylthio)ethyl]thiourea Formula: C21H22N4O2S3 MolecularWeight: 458.61998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=C(S2)C(=O)NNC(=S)NCCSC3=CC=CC=C3)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=C(S2)C(=O)NNC(=S)NCCSC3=CC=CC=C3)N

InChI

InChI=1S/C21H22N4O2S3/c1-27-15-9-7-14(8-10-15)18-13-17(22)19(30-18)20(26)24-25-21(28)23-11-12-29-16-5-3-2-4-6-16/h2-10,13H,11-12,22H2,1H3,(H,24,26)(H2,23,25,28)