1-[3-(azepan-1-yl)propyl]-3-(4-ethylphenyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 1-[3-(azepan-1-yl)propyl]-3-(4-ethylphenyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[3-(azepan-1-yl)propyl]-3-(4-ethylphenyl)-1-(2-thienylmethyl)thiourea CAS Name: 1-[3-(1-azepanyl)propyl]-3-(4-ethylphenyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[3-(azepan-1-yl)propyl]-3-(4-ethylphenyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[3-(azepan-1-yl)propyl]-3-(4-ethylphenyl)-1-(2-thenyl)thiourea Formula: C23H33N3S2 MolecularWeight: 415.65822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(CCCN2CCCCCC2)CC3=CC=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CCCN2CCCCCC2)CC3=CC=CS3

InChI

InChI=1S/C23H33N3S2/c1-2-20-10-12-21(13-11-20)24-23(27)26(19-22-9-7-18-28-22)17-8-16-25-14-5-3-4-6-15-25/h7,9-13,18H,2-6,8,14-17,19H2,1H3,(H,24,27)