1-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 1-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-(thiophen-2-ylmethyl)thiourea Openeye Name: 1-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3-(2-thienylmethyl)thiourea CAS Name: 1-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-3-(thiophen-2-ylmethyl)thiourea IUPAC Name: 1-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3-(2-thenyl)thiourea Formula: C22H30N4O3S3 MolecularWeight: 494.6936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=S)NCC4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=S)NCC4=CC=CS4

InChI

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