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

Systemtic Name: 1-[3-(azepan-1-yl)propyl]-3-(4-phenoxyphenyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[3-(azepan-1-yl)propyl]-3-(4-phenoxyphenyl)-1-(2-thienylmethyl)thiourea CAS Name: 1-[3-(1-azepanyl)propyl]-3-(4-phenoxyphenyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[3-(azepan-1-yl)propyl]-3-(4-phenoxyphenyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[3-(azepan-1-yl)propyl]-3-(4-phenoxyphenyl)-1-(2-thenyl)thiourea Formula: C27H33N3OS2 MolecularWeight: 479.70042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCN(CC2=CC=CS2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)CCCN(CC2=CC=CS2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H33N3OS2/c32-27(28-23-13-15-25(16-14-23)31-24-10-4-3-5-11-24)30(22-26-12-8-21-33-26)20-9-19-29-17-6-1-2-7-18-29/h3-5,8,10-16,21H,1-2,6-7,9,17-20,22H2,(H,28,32)