1-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-3-(2-thiophen-2-ylethyl)thiourea

Systemtic Name: 1-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-3-(2-thiophen-2-ylethyl)thiourea Openeye Name: 1-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-3-[2-(2-thienyl)ethyl]thiourea CAS Name: 1-[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]amino]-3-(2-thiophen-2-ylethyl)thiourea IUPAC Name: 1-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-3-(2-thiophen-2-ylethyl)thiourea Traditional Name: 1-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-3-[2-(2-thienyl)ethyl]thiourea Formula: C22H30N4O3S3 MolecularWeight: 494.6936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NNC(=S)NCCC3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NNC(=S)NCCC3=CC=CS3

InChI

InChI=1S/C22H30N4O3S3/c27-21(24-25-22(30)23-14-13-19-6-5-17-31-19)12-9-18-7-10-20(11-8-18)32(28,29)26-15-3-1-2-4-16-26/h5-8,10-11,17H,1-4,9,12-16H2,(H,24,27)(H2,23,25,30)