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

Systemtic Name: 1-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-ethyl-thiourea Openeye Name: 1-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3-ethyl-thiourea CAS Name: 1-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-3-ethylthiourea IUPAC Name: 1-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-ethylthiourea Traditional Name: 1-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3-ethyl-thiourea Formula: C19H30N4O3S2 MolecularWeight: 426.5965

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCCC3

Isomeric SMILES

CCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCCC3

InChI

InChI=1S/C19H30N4O3S2/c1-2-20-19(27)21-17-15-16(28(24,25)23-11-13-26-14-12-23)7-8-18(17)22-9-5-3-4-6-10-22/h7-8,15H,2-6,9-14H2,1H3,(H2,20,21,27)