1-[4-(azepan-1-ylcarbonyl)phenyl]-3-phenyl-thiourea

Systemtic Name: 1-[4-(azepan-1-ylcarbonyl)phenyl]-3-phenyl-thiourea Openeye Name: 1-[4-(azepane-1-carbonyl)phenyl]-3-phenyl-thiourea CAS Name: 1-[4-[1-azepanyl(oxo)methyl]phenyl]-3-phenylthiourea IUPAC Name: 1-[4-(azepane-1-carbonyl)phenyl]-3-phenylthiourea Traditional Name: 1-[4-(azepane-1-carbonyl)phenyl]-3-phenyl-thiourea Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C20H23N3OS/c24-19(23-14-6-1-2-7-15-23)16-10-12-18(13-11-16)22-20(25)21-17-8-4-3-5-9-17/h3-5,8-13H,1-2,6-7,14-15H2,(H2,21,22,25)